Guanidinium 2-carboxy-6-nitrobenzoate monohydrate: a two-dimensional hydrogen-bonded network structure

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Author(s)
Smith, Graham
Wermuth, Urs D
Healy, Peter C
Year published
2007
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In the structure of the title compound, CH6N3+烸H4NO6-爲O, obtained from the reaction of guanidine carbonate with 3-nitrophthalic acid, the 2-carboxylic acid group is deprotonated and participates in an asymmetric cyclic R21(6) hydrogen-bonding association with the guanidine cation together with a bridging water molecule of solvation. A conjoint R12(7) facial association involving a nitro O-atom acceptor together with a further five guanidinium N-H...O hydrogen bonds, as well as a strong carboxyl-water O-H...O interaction [2.528 (3) ŝ, give a two-dimensional network structure.In the structure of the title compound, CH6N3+烸H4NO6-爲O, obtained from the reaction of guanidine carbonate with 3-nitrophthalic acid, the 2-carboxylic acid group is deprotonated and participates in an asymmetric cyclic R21(6) hydrogen-bonding association with the guanidine cation together with a bridging water molecule of solvation. A conjoint R12(7) facial association involving a nitro O-atom acceptor together with a further five guanidinium N-H...O hydrogen bonds, as well as a strong carboxyl-water O-H...O interaction [2.528 (3) ŝ, give a two-dimensional network structure.
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Journal Title
Acta Crystallographica. Section E: Structure reports online
Volume
E63
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Copyright Statement
© The Author(s) 2007. For information about this journal please refer to the journal's website. All articles published in Acta Crystallographica Section E are open access and distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. See http://creativecommons.org/licenses/by/2.0/uk/legalcode
Subject
Chemical Sciences